Information card for entry 4315259

Structure parameters

• Common name: [TcOCl3(OH2)(THF)].2THF
• Chemical name: Aquatrichlorooxotetrahydofurantechnetium(V) tetrahydrofurane solvate
• Formula: C12 H26 Cl3 O5 Tc
• Calculated formula: C12 H26 Cl3 O5 Tc
• SMILES: [Tc](Cl)(Cl)(Cl)(=O)([OH2])[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Characterization, and Structures of R3EOTcO3 Complexes (E = C, Si, Ge, Sn, Pb) and Related Compounds
• Authors of publication: Elisabeth Oehlke; Roger Alberto; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3525 - 3530
• a: 8.294 ± 0.001 Å
• b: 10.725 ± 0.001 Å
• c: 11.911 ± 0.002 Å
• α: 104.19 ± 0.01°
• β: 109.4 ± 0.01°
• γ: 97.4 ± 0.01°
• Cell volume: 942.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No